【药物名称】Abaperidone hydrochloride, FI-8602.HCl
化学结构式(Chemical Structure):
参考文献No.31352
标题:4-(6-Fluoro-1, 2-benzisoxazolyl)-1-piperidinyl-propoxy-chromen-4-one derivs., their preparation and their use in the treatment of psychosis, schizophrenia and anxiety
作者:Foguet, R.; Anglada, L.; Bol髎, J.; Ortiz, J.; Sacrist醤, A.; Castell? J.M. (Ferrer Internacional SA)
来源:EP 0765323; ES 2101646; ES 2103237; JP 1998501557; US 5736558; WO 9632389
合成路线图解说明:

2',4'-Dihydroxyacetophenone (I) was selectively alkylated at position 4' with 1-bromo-3-chloropropane (II) in the presence of K2CO3 in refluxing acetone to yield the 4'-(3-chloropropyl)ether (III). Further condensation of (III) with Vilsmeier reagent, followed by aqueous work up, provided the 3-formylchromenone (IV), which was subsequently reduced with sodium borohydride in CHCl3-EtOH at 0 C to give the (hydroxymethyl)chromenone (V). Finally, alkylation of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole (VI) with chloride (V) in the presence of K2CO3 and KI in refluxing acetonitrile yielded the title compound, which was isolated as the hydrochloride salt from methanol.

参考文献No.395936
标题:7-[3-(1-Piperidinyl)propoxy]chromenones as potential atypical antipsychotics
作者:Bol髎, J.; Gubert, S.; Anglada, L.; Planas, J.M.; Burgarolas, C.; Castell? J.M.; Sacristan, A.; Ortiz, J.A.
来源:J Med Chem 1996,39(15),2962
合成路线图解说明:

2',4'-Dihydroxyacetophenone (I) was selectively alkylated at position 4' with 1-bromo-3-chloropropane (II) in the presence of K2CO3 in refluxing acetone to yield the 4'-(3-chloropropyl)ether (III). Further condensation of (III) with Vilsmeier reagent, followed by aqueous work up, provided the 3-formylchromenone (IV), which was subsequently reduced with sodium borohydride in CHCl3-EtOH at 0 C to give the (hydroxymethyl)chromenone (V). Finally, alkylation of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole (VI) with chloride (V) in the presence of K2CO3 and KI in refluxing acetonitrile yielded the title compound, which was isolated as the hydrochloride salt from methanol.

参考文献No.483855
标题:7-[3-(1-Piperidinyl)propoxy]chromenones as potential atypical antipsychotics. 2. Pharmacological profile of 7-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-piperidin-1-yl]propoxy]-3-(hydroxymethyl)chromen-4-one (abaperidone, FI-8602)
作者:Bol髎, J.; Anglada, L.; Gubert, S.; Planas, J.M.; Agut, J.; Princep, M.; De la Fuente, N.; Sacristan, A.; Ortiz, J.A.
来源:J Med Chem 1998,41(27),5402
合成路线图解说明:

2',4'-Dihydroxyacetophenone (I) was selectively alkylated at position 4' with 1-bromo-3-chloropropane (II) in the presence of K2CO3 in refluxing acetone to yield the 4'-(3-chloropropyl)ether (III). Further condensation of (III) with Vilsmeier reagent, followed by aqueous work up, provided the 3-formylchromenone (IV), which was subsequently reduced with sodium borohydride in CHCl3-EtOH at 0 C to give the (hydroxymethyl)chromenone (V). Finally, alkylation of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole (VI) with chloride (V) in the presence of K2CO3 and KI in refluxing acetonitrile yielded the title compound, which was isolated as the hydrochloride salt from methanol.

参考文献No.616816
标题:Abaperidone Hydrochloride
作者:Pr韓cep, M.; Guglietta, A.; Bol髎, J.
来源:Drugs Fut 2001,26(4),335
合成路线图解说明:

2',4'-Dihydroxyacetophenone (I) was selectively alkylated at position 4' with 1-bromo-3-chloropropane (II) in the presence of K2CO3 in refluxing acetone to yield the 4'-(3-chloropropyl)ether (III). Further condensation of (III) with Vilsmeier reagent, followed by aqueous work up, provided the 3-formylchromenone (IV), which was subsequently reduced with sodium borohydride in CHCl3-EtOH at 0 C to give the (hydroxymethyl)chromenone (V). Finally, alkylation of 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole (VI) with chloride (V) in the presence of K2CO3 and KI in refluxing acetonitrile yielded the title compound, which was isolated as the hydrochloride salt from methanol.

合成路线图解说明:

Methyl 2,4-dihydroxybenzoate (VII) was selectively protected as the 4-benzyl ether (VIII) with benzyl bromide in the presence of potassium carbonate. Condensation with sodium (methylsulfinyl)methyde provided the corresponding methylsulfinyl ketone (IX). This was condensed with two equivalents of formaldehyde to yield (X). Subsequent pyrolysis of the sulfoxide group furnished chromenone (XI). Deprotection of the benzyl ether was achieved by treatment with boron trichloride, and the resulting 7-hydroxychromenone (XII) was then alkylated with 1-bromo-3-chloropropane (II) to give 7-(3-chloropropoxy)-3-(hydroxymethyl)-4H-chromen-4-one (V).

合成路线图解说明:

Since this synthetic method did not allow the scale-up preparation, mainly due to safety concerns regarding the use of sodium (methylsulfinyl)methyde, an improved and scalable procedure was further developed. Claisen condensation of acetophenone (III) with ethyl formate in the presence of sodium methoxide produced the 2-hydroxychromanone (XIII). This was condensed with formaldehyde, employing sodium acetate as the catalyst, and the intermediate 3-(hydroxymethyl)-2-hydroxychromanone (XIV) was subsequently dehydrated by treatment with HCl to give (V).

参考文献No.616822
标题:A new and efficient synthesis of 3-(hydroxymethyl)-4H-chromen-4-ones
作者:Bol髎, J.; et al.
来源:J Heterocycl Chem 2000,37(5),1203
合成路线图解说明:

Since this synthetic method did not allow the scale-up preparation, mainly due to safety concerns regarding the use of sodium (methylsulfinyl)methyde, an improved and scalable procedure was further developed. Claisen condensation of acetophenone (III) with ethyl formate in the presence of sodium methoxide produced the 2-hydroxychromanone (XIII). This was condensed with formaldehyde, employing sodium acetate as the catalyst, and the intermediate 3-(hydroxymethyl)-2-hydroxychromanone (XIV) was subsequently dehydrated by treatment with HCl to give (V).

参考文献No.803905
标题:
作者:Nieto, J.; Bol髎, J.
来源:Unpublished results
合成路线图解说明:

Methyl 2,4-dihydroxybenzoate (VII) was selectively protected as the 4-benzyl ether (VIII) with benzyl bromide in the presence of potassium carbonate. Condensation with sodium (methylsulfinyl)methyde provided the corresponding methylsulfinyl ketone (IX). This was condensed with two equivalents of formaldehyde to yield (X). Subsequent pyrolysis of the sulfoxide group furnished chromenone (XI). Deprotection of the benzyl ether was achieved by treatment with boron trichloride, and the resulting 7-hydroxychromenone (XII) was then alkylated with 1-bromo-3-chloropropane (II) to give 7-(3-chloropropoxy)-3-(hydroxymethyl)-4H-chromen-4-one (V).

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